Delineating the Structure–Dynamics–Binding Differences among BA.1, BA.4/5, and BF.7 SARS-CoV‑2 Variants through Atomistic Simulations: Correlation with Structural and Epidemiological Features

• Aryaman Joshi,
• Shweata Maurya,
• Atharva Mahale,
• Soumya Lipsa Rath,
• Timir Tripathi,
• Aditya K. Padhi

Affiliations

Aryaman Joshi

Department of Chemical Engineering & Technology, Indian Institute of Technology (BHU), Varanasi, Uttar Pradesh, India

Shweata Maurya

Laboratory for Computational Biology & Biomolecular Design, School of Biochemical Engineering, Indian Institute of Technology (BHU), Varanasi, Uttar Pradesh, India

Atharva Mahale

Department of Biotechnology, National Institute of Technology, Warangal, Telangana, India

Soumya Lipsa Rath

Department of Biotechnology, National Institute of Technology, Warangal, Telangana, India

Timir Tripathi

Molecular and Structural Biophysics Laboratory, Department of Biochemistry, North-Eastern Hill University, Shillong, India

Aditya K. Padhi

Laboratory for Computational Biology & Biomolecular Design, School of Biochemical Engineering, Indian Institute of Technology (BHU), Varanasi, Uttar Pradesh, India